Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 2/20 | 0.36 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2483716 | 0.87 | BRS3 (0.47) | NPC1RAB9ATRPV1FLT3BRS3 | |
| SCHEMBL2490803 | 0.87 | NPC1 (0.44) | NPC1RAB9AFLT3PAK1CYP3A4 | |
| SCHEMBL2803893 | 0.80 | NPC1 (0.42) | NPC1RAB9ATRPV1CYP3A4CYP2D6 | |
| SCHEMBL2486666 | 0.80 | NPC1 (0.47) | NPC1RAB9ATRPV1PAK1CYP3A4 | |
| SCHEMBL2490058 | 0.77 | MAPT (0.44) | NPC1RAB9ATRPV1CYP3A4HTT | |
| SCHEMBL2806247 | 0.72 | PDGFRB (0.52) | NPC1RAB9AFLT3PAK1BRS3 | |
| SCHEMBL2802299 | 0.71 | NPC1 (0.61) | NPC1RAB9AFLT3PAK1HTT | |
| SCHEMBL2805744 | 0.68 | PDGFRB (0.48) | NPC1RAB9AFLT3BRS3BRAF | |
| SCHEMBL2806010 | 0.68 | TRPV1 (0.56) | NPC1RAB9ATRPV1PAK1FAAH | |
| SCHEMBL2805561 | 0.68 | KDR (0.51) | NPC1RAB9ATRPV1PAK1PDGFRB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |